0 B6R0.5 CC(C)(C)CNN 4043230 [0,0,0,0,0,0|3,0,0]=3 1 B6R0.5 CC(C)(O)CCCl 4047844 [0,0,0,0,0,0|3,0,0]=3 2 B6R0.5 CC(C)(O)CCN 4044047 [0,0,0,0,0,0|3,0,0]=3 3 B6R0.5 CC(C)(O)CNN 4085384 [0,0,0,0,0,0|4,0,0]=4 4 B6R0.5 CNCC(C)(C)C 4017477 [0,0,0,0,0,0|3,0,0]=3 5 B6R0.5 CNCC(C)(C)O 4085463 [0,0,0,0,0,0|4,0,0]=4 6 B6R0.5 COCC(C)(C)N 4017683 [0,0,0,0,0,0|4,0,0]=4 7 B6R0.5 CS(=O)(=O)CCCl 4036406 [0,0,0,0,0,0|4,0,0]=4 8 B6R0.5 CS(=O)(=O)CCN 4030796 [0,0,0,0,0,0|4,0,0]=4 9 B5R0.1 CC(N)CCO 4027026 [1,0,0,0,0,0|2,0,0]=3 10 B5R0.1 NC(=O)CCO 4070037 [1,0,0,0,0,0|3,0,0]=4 11 B7R0.8 CC(C)(C)CCC#N 4041024 [0,1,0,0,0,0|2,0,0]=3 12 B7R0.8 CC(C)(C)CCCO 4040977 [0,1,0,0,0,0|1,0,0]=2 13 B7R0.8 CC(C)(C)SCCN 4028606 [0,1,0,0,0,0|2,0,0]=3 14 B7R0.8 CCNCC(C)(C)C 4017478 [0,1,0,0,0,0|2,0,0]=3 15 B7R0.8 CCOCC(C)(C)N 4026868 [0,1,0,0,0,0|3,0,0]=4 16 B7R0.8 CNCCC(C)(C)O 4021555 [0,1,0,0,0,0|3,0,0]=4 17 B7R0.8 CS(=O)(=O)CCCO 4031323 [0,1,0,0,0,0|3,0,0]=4 18 B7R0.9 CC(C)CC(C)(C)N 4043228 [0,1,0,0,0,0|3,0,0]=4 19 B7R0.11 CCNC(C)(C)CO 4029235 [0,1,0,0,0,0|3,0,0]=4 20 B7R0.11 CCNC(C)(C)CO 4087910 [0,1,0,0,0,0|3,0,0]=4 21 B7R0.11 CNC(C)(C)COC 4027390 [0,1,0,0,0,0|3,0,0]=4 22 B7R0.11 CNCC(C)(C)CO 4025868 [0,1,0,0,0,0|3,0,0]=4 23 B7R0.11 COC(C)(C)CCN 4021563 [0,1,0,0,0,0|2,0,0]=3 24 B7R0.11 COCC(C)(C)CN 4028135 [0,1,0,0,0,0|3,0,0]=4 25 B7R0.14 CC(C)(C)C(=O)CN 4030730 [0,1,0,0,0,0|2,0,1]=4 26 B7R0.14 CC(C)(O)C(O)CN 4070090 [0,1,0,0,0,0|3,0,0]=4 27 B7R0.14 CNC(C)C(C)(C)C 4028680 [0,1,0,0,0,0|3,0,0]=4 28 B7R1.14 CC1(C)CCCN1 4020218 [0,0,0,1,0,0|3,0,0]=4 29 B7R1.14 CC1(C)CCNC1 4018853 [0,0,0,1,0,0|2,0,0]=3 30 B7R1.14 CC1(N)CCCC1 4017355 [0,0,0,1,0,0|3,0,0]=4 31 B7R1.21 CCCC1(N)CC1 4021536 [0,0,0,1,0,0|3,0,0]=4 32 B7R1.23 CC1(C)CC1CN 4032113 [0,0,0,1,0,0|2,0,0]=3 33 B7R1.23 CC1(C)CC1CO 4033976 [0,0,0,1,0,0|1,0,0]=2 34 B7R1.23 OCC1CC1(F)F 4031320 [0,0,0,1,0,0|3,0,0]=4 35 B7R1.26 CC(C)(N)C1CC1 4108199 [0,0,0,1,0,0|3,0,0]=4 36 B6R0.1 CCC(C)CCN 4015078 [1,1,0,0,0,0|2,0,0]=4 37 B6R0.1 CNC(=O)CCO 4035059 [1,1,0,0,0,0|2,0,0]=4 38 B6R0.1 CNC(C)CCO 4027121 [1,1,0,0,0,0|1,0,0]=3 39 B6R0.1 COC(=O)CCO 4041011 [1,1,0,0,0,0|2,0,0]=4 40 B6R0.1 COC(C)CCN 4043534 [1,1,0,0,0,0|2,0,0]=4 41 B6R0.3 CC(C)C(O)CN 4038941 [1,1,0,0,0,0|2,0,0]=4 42 B6R0.3 CC(CN)N(C)C 4026858 [1,1,0,0,0,0|1,0,1]=4 43 B6R0.3 CN(C)C(=O)CO 4033769 [1,1,0,0,0,0|0,0,2]=4 44 B6R0.4 CC(C)SCCN 4012669 [1,1,0,0,0,0|2,0,0]=4 45 B6R0.4 CC(C)SCCN 4089980 [1,1,0,0,0,0|2,0,0]=4 46 B6R0.4 COCCC(C)=O 4022132 [1,1,0,0,0,0|2,0,0]=4 47 B6R0.7 CC(C)C(C)(C)N 4045550 [1,1,0,0,0,0|2,0,0]=4 48 B6R0.7 CC(N)C(C)(C)O 4035420 [1,1,0,0,0,0|2,0,0]=4 49 B6R0.8 C=CC(C)(C)CO 4071188 [1,1,0,0,0,0|1,0,1]=4 50 B6R0.8 CCC(C)(N)CC 4035688 [1,1,0,0,0,0|2,0,0]=4 51 B6R0.8 COC(C)(C)CN 4100459 [1,1,0,0,0,0|2,0,0]=4 52 B8R0.29 CC(C)(C)CCC(=O)O 4027662 [0,2,0,0,0,0|1,0,0]=3 53 B8R0.29 CC(C)(N)CCC(=O)O 4020441 [0,2,0,0,0,0|2,0,0]=4 54 B8R0.29 CC(C)CNC(C)(C)C 4029184 [0,2,0,0,0,0|2,0,0]=4 55 B6R1.2 CC1CNOC1 4040895 [1,0,0,1,0,0|2,0,0]=4 56 B6R1.2 NC1CCOC1 4003522 [1,0,0,1,0,0|2,0,0]=4 57 B6R1.5 N[C@H]1C[C@@H](O)C1 4054153 [1,0,0,1,0,0|2,0,0]=4 58 B6R1.5 N[C@H]1C[C@H](O)C1 4046339 [1,0,0,1,0,0|2,0,0]=4 59 B6R1.7 CCC1(N)CC1 4021535 [1,0,0,1,0,0|2,0,0]=4 60 B8R1.41 COCCC1(N)CC1 4021538 [0,1,0,1,0,0|2,0,0]=4 61 B8R1.51 CC1(C)CCC(=O)C1 4042132 [0,1,0,1,0,0|1,0,1]=4 62 B8R1.51 CC1(C)COC(=O)C1 4108200 [0,1,0,1,0,0|1,0,1]=4 63 B8R1.51 CC1CNC(C)(C)C1 4044904 [0,1,0,1,0,0|2,0,0]=4 64 B8R1.72 CC1(C)CCCNC1 4029954 [0,1,0,1,0,0|2,0,0]=4 65 B8R1.72 CC1(C)CCNCC1 4023814 [0,1,0,1,0,0|2,0,0]=4 66 B8R1.72 CC1(C)CNCCO1 4017656 [0,1,0,1,0,0|2,0,0]=4 67 B8R1.77 CC1(C)CC1C(=O)O 4031328 [0,1,0,1,0,0|1,0,1]=4 68 B8R1.70 CC(C)(C)C1(N)CC1 4036044 [0,1,0,1,0,0|2,0,0]=4 69 B8R2.2 CC12CNCC1C2 4043501 [0,0,0,2,0,0|2,0,0]=4 70 B8R2.55 C1CC12CNOC2 4040206 [0,0,0,2,0,0|2,0,0]=4